Accuracy
2-methyl-1-propylamine
488 2-Methyl-1-propylamine
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Geometry predicted using PM7
ΔHf: -23.6 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
PM7
2-Methyl-1-propylamine
H=-23.57 HR=NIST
C -0.01033831 +1 0.00562191 +1 -0.01477054 +1
C -1.05824031 +1 1.12127727 +1 0.01191240 +1
C -0.69242687 +1 -1.36691299 +1 0.00942541 +1
C 0.87002779 +1 0.11607454 +1 -1.28203285 +1
N 1.78848545 +1 1.27367419 +1 -1.16955100 +1
H 0.64040360 +1 0.10260819 +1 0.88750506 +1
H -0.58160388 +1 2.10242518 +1 -0.12668980 +1
H -1.79421223 +1 1.00610701 +1 -0.79038800 +1
H -1.59869608 +1 1.14079205 +1 0.96244499 +1
H -1.31730843 +1 -1.51875759 +1 -0.87746511 +1
H 0.03765898 +1 -2.18139344 +1 0.04864125 +1
H -1.34283466 +1 -1.46596223 +1 0.88584684 +1
H 1.41116998 +1 -0.83958700 +1 -1.44890111 +1
H 0.22945025 +1 0.28414497 +1 -2.17539750 +1
H 2.29118401 +1 1.27052523 +1 -0.29800070 +1
H 2.45136588 +1 1.29431653 +1 -1.92624785 +1